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  1. Third-Parties
  2. MatprojStructure
  3. mp-1179935

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-1179935
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 74
  • Number of elements: 5
  • Element list: ['Rb', 'Ce', 'H', 'C', 'O']
  • Chemical System: C-Ce-H-O-Rb
  • Density: 2.4333155312308072
  • Atomic Density: 0.06759587074718564
  • Unit Cell Volume: 1094.7414269839996
  • Molar Volume: 8.909036444730956
  • Full Formula: Rb8 Ce2 H24 C6 O34
  • Reduced Formula: Rb4CeH12C3O17
  • Formula Anonymous: AB3C4D12E17
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -421.15403977
  • Final energy per atom: -5.691270807702702
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.